#1. I am getting occupied dz2-down spin for Fe+2 in LiFePO4 (DFT). How to explain this ? (Usually we describe electronic configuration of Fe+2 is t2g4 eg2 where eg is with two up-spin filled electrons.)

#2. For LiNi0.5Mn0.5O2, I am getting magnetic moment of Ni: 1.75 (Ni is in +2 oxidation state) but with up-spin unoccupied orbital. How to explain this?

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